1-(2-ethoxycyclopropanecarbonyl)-2,3-dihydroindole-3-carboxylic acid

C15H17NO4 — CID 120691169

IUPAC1-(2-ethoxycyclopropanecarbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCCOC1CC1C(=O)N1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C15H17NO4/c1-2-20-13-7-10(13)14(17)16-8-11(15(18)19)9-5-3-4-6-12(9)16/h3-6,10-11,13H,2,7-8H2,1H3,(H,18,19)
InChIKeyASISBYZLSRQPBR-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.63
Rot. Bonds4

About 1-(2-ethoxycyclopropanecarbonyl)-2,3-dihydroindole-3-carboxylic acid

1-(2-ethoxycyclopropanecarbonyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 120691169) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 1-(2-ethoxycyclopropanecarbonyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethoxycyclopropanecarbonyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID120691169
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name1-(2-ethoxycyclopropanecarbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCCOC1CC1C(=O)N1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C15H17NO4/c1-2-20-13-7-10(13)14(17)16-8-11(15(18)19)9-5-3-4-6-12(9)16/h3-6,10-11,13H,2,7-8H2,1H3,(H,18,19)
InChIKeyASISBYZLSRQPBR-UHFFFAOYSA-N
XLogP1.63
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 3-benzyl-1-[3-(dimethylamino)propyl]-2-oxo-3-indolinecarboxylate
CID 23723129
2-{1-[(tert-butoxy)carbonyl]-2,3-dihydro-1H-indol-3-yl}acetic acid
CID 18545815
1-tert-butyl 3-methyl 2,3-dihydro-1H-indole-1,3-dicarboxylate
CID 42614559
1-acetyl-2,3-dihydro-1H-indole-3-carboxylic acid
CID 14594071
1-((tert-butoxy)carbonyl)-2,3-dihydro-1H-indole-3-carboxylic acid
CID 19697750
Ethyl 3-benzyl-1-[3-(dimethylamino)propyl]-2-oxoindole-3-carboxylate
CID 4608942
(1S,2R,3S,4R)-3-(2,3-dihydroindole-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 177378827
3-(Hydroxymethyl)-1-methyl-3-(2,2,2-trifluoroethyl)indol-2-one
CID 102144357
[1-Methyl-2-oxo-3-(2,2,2-trifluoroethyl)indol-3-yl]methyl acetate
CID 102499449
Methyl 1-methyl-2-oxoindoline-3-carboxylate
CID 11805845
Ethyl 1,3-dimethyl-2-oxoindole-3-carboxylate
CID 12450680
1-[(tert-butoxy)carbonyl]-2-methyl-2,3-dihydro-1H-indole-3-carboxylic acid
CID 117046312

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxycyclopropanecarbonyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-(2-ethoxycyclopropanecarbonyl)-2,3-dihydroindole-3-carboxylic acid (CID 120691169) is 1-(2-ethoxycyclopropanecarbonyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-(2-ethoxycyclopropanecarbonyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-(2-ethoxycyclopropanecarbonyl)-2,3-dihydroindole-3-carboxylic acid is CCOC1CC1C(=O)N1CC(C(=O)O)c2ccccc21.
What is the InChIKey of 1-(2-ethoxycyclopropanecarbonyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is ASISBYZLSRQPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-2-20-13-7-10(13)14(17)16-8-11(15(18)19)9-5-3-4-6-12(9)16/h3-6,10-11,13H,2,7-8H2,1H3,(H,18,19).
What are the key properties of 1-(2-ethoxycyclopropanecarbonyl)-2,3-dihydroindole-3-carboxylic acid?
1-(2-ethoxycyclopropanecarbonyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxycyclopropanecarbonyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 120691169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).